============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 2 1.000 49.480-163.606 39.991 -99.200 -91.000 TYR 5 0.840 53.817-162.226 31.465 -99.200 -91.000 PHE 20 1.000 86.197-162.707 19.364 -99.200 -91.000 TYR 33 0.840 61.847-145.925 40.962 -99.200 -91.000 TYR 39 0.840 77.863-162.573 41.093 -99.200 -91.000 PHE 44 1.000 72.218-168.723 34.253 -99.200 -91.000 PHE 57 1.000 58.280-162.882 35.416 -99.200 -91.000 PHE 68 1.000 69.556-174.404 24.908 -99.200 -91.000 TRP 74 1.040 65.677-185.424 28.479 -99.200 -91.000 TRP6 74 1.020 65.085-187.705 28.564 -99.200 -91.000 TYR 75 0.840 70.847-182.858 19.533 -99.200 -91.000 HIS 76 0.900 74.707-183.804 24.786 -99.200 -91.000 PHE 77 1.000 70.138-188.885 28.856 -99.200 -91.000 HIS 79 0.900 68.598-186.992 18.229 -99.200 -91.000 HIS 95 0.900 60.018-175.624 16.607 -99.200 -91.000 TYR 98 0.840 54.576-169.511 17.402 -99.200 -91.000 PHE 102 1.000 48.090-168.291 20.828 -99.200 -91.000 PHE 103 1.000 51.003-167.283 31.304 -99.200 -91.000 TYR 105 0.840 59.003-169.852 28.534 -99.200 -91.000 TYR 106 0.840 56.953-158.888 29.296 -99.200 -91.000 HIS 108 0.900 66.266-159.726 22.965 -99.200 -91.000 TYR 123 0.840 71.891-168.426 15.324 -99.200 -91.000 PHE 125 1.000 66.687-167.622 19.927 -99.200 -91.000 TYR 131 0.840 65.729-168.983 14.786 -99.200 -91.000 PHE 149 1.000 80.049-147.333 22.013 -99.200 -91.000 PHE 156 1.000 85.086-149.346 12.145 -99.200 -91.000 TYR 160 0.840 80.280-141.686 4.736 -99.200 -91.000 TYR 173 0.840 84.395-158.295 13.342 -99.200 -91.000 PHE 187 1.000 76.850-154.540 29.703 -99.200 -91.000 HIS 194 0.900 67.728-148.302 32.186 -99.200 -91.000 PHE 215 1.000 82.044-159.119 38.820 -99.200 -91.000 TYR 216 0.840 86.403-156.613 33.395 -99.200 -91.000